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기본 정보
- CAS
33375-06-3- 표준 SMILES
C[C@@H](N=C=O)c1ccccc1- InChIKey
JJSCUXAFAJEQGB-MRVPVSSYSA-N- 분자식
- C9H9NO
- 평균 분자량
- 147.17 g/mol
- 단동위원소 질량
- 147.06841391
이름 및 식별자
- 우선 이름
- (R)-(+)-1-Phenylethyl isocyanate
- IUPAC
- [(1R)-1-isocyanatoethyl]benzene
- 영어명
- (R)-(+)-1-Phenylethyl isocyanate
- 분자식
- C9H9NO
- 분자량
- 147.17
이름 및 동의어
(R)-(+)-1-Phenylethyl isocyanateBenzene, [(1R)-1-isocyanatoethyl]-Benzene, ((1R)-1-isocyanatoethyl)-RefChem:406964(+)-alpha-Methylbenzyl isocyanate33375-06-3[(1R)-1-Isocyanatoethyl]Benzene(R)-(+)-alpha-Methylbenzyl isocyanater-(+)-a-methylbenzyl isocyanate(r)-(+)-1-phenylethylisocyanate(R)-(+)-a-methylbenzyl isocyanate(R)-(+)-|A-Methylbenzyl isocyanate
이름 더 보기
Ciprofol Impurity 3(R)-(+)-α-MethylbenzylR-(+)-Phenethyl Isocyanate(R) METHYL BENZYLISOCYANATE(R)-1-PHENYLETHYLISOCYANATEBenzene, (1-isocyanatoethyl)-(1R)-1-phenylethyl isocyanateR-(+)-A-PHENYLETHYL ISOCYANATE
(r)-phenylethylisocyanateMFCD00063015(r)-(1-isocyanatoethyl)benzene(+)-.alpha.-Phenethyl isocyanateBenzene, (1-isocyanatoethyl)-, (R)-Isocyanic Acid (R)-(+)-1-Phenylethyl EsterD87824(R)-(+)-alpha-Methylbenzyl isocyanate, for chiral derivatization, >=99.0%
데이터베이스 식별자
- CAS
33375-06-3- PubChem CID
- 7018262
- DTXSID
DTXSID601366794- EC Number
- 251-485-2
- Nikkaji
- J63.267H
물성
구조 계산 물성보충 중
- XLogP
- 2.9
- 극성 표면적
- 29.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 155
물리화학적 성질
- 끓는 점
- 55 · 55-56 °C2.5 mm Hg(lit.)
- 밀도
- 1.045 g/mL · 1.045 g/mL at 20 °C(lit.)
- 굴절률
- 20 · n20/D 1.513(lit.)
- 인화점
- 150 °F · 150 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 무색~담황색 투명
- 수용성
- 분해
- BRN
- 3196930 · 3196930
- 안정성
- 수분에 매우 민감함
- InChI
- 1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m1/s1
- InChIKey
- JJSCUXAFAJEQGB-UHFFFAOYSA-N
- SMILES
- C[C@@H](N=C=O)c1ccccc1
화학적 성질
Colorless to light yellow liqui
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H330 (85.7%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H331 (10.2%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H334 (95.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (95.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information(R)-(+)-1-Phenylethyl isocyanate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (98%)；Eye Irrit. 2 (98%)；Acute Tox. 2 (85.7%)；Acute Tox. 3 (10.2%)；Resp. Sens. 1 (95.9%)；STOT SE 3 (95.9%)
규제 정보
Regulatory Information(R)-(+)-1-Phenylethyl isocyanate: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
응용 분야
용도(R)-1-phenylethyl isocyanate is used in the derivatisation of alcohols, thiocarbamates and hydroxy fatty acids. (R)-1-phenylethyl isocyanate moderately inhibited both BP-DNA adducts.
일반 설명(R)-(+)-a-Methylbenzyl isocyanate [(R)-(+)-MBIC] is a derivatizing agent.
공급사100 곳
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湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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